(2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine

C30H44N4O2 — CID 161257703

IUPAC(2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1.CN(C)C[C@@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H20N2O2.C15H24N2/c1-16(2)15(19)13-10-6-7-11-17(13)14(18)12-8-4-3-5-9-12;1-16(2)13-15-10-6-7-11-17(15)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-11H2,1-2H3;3-5,8-9,15H,6-7,10-13H2,1-2H3/t13-;15-/m00/s1
InChIKeyVCDKRGRDIKTLSE-VMFAFTOVSA-N
MW492.71 g/mol
LogP4.37
Rot. Bonds6

About (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine

(2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 161257703) has the molecular formula C30H44N4O2 and a molecular weight of 492.71 g/mol. Its IUPAC name is (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine
PubChem CID161257703
Molecular FormulaC30H44N4O2
Molecular Weight492.71 g/mol
Exact Mass492.35
IUPAC Name(2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1.CN(C)C[C@@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H20N2O2.C15H24N2/c1-16(2)15(19)13-10-6-7-11-17(13)14(18)12-8-4-3-5-9-12;1-16(2)13-15-10-6-7-11-17(15)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-11H2,1-2H3;3-5,8-9,15H,6-7,10-13H2,1-2H3/t13-;15-/m00/s1
InChIKeyVCDKRGRDIKTLSE-VMFAFTOVSA-N
XLogP4.37
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 112845834
[3-(chloromethyl)phenyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886997
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine (CID 161257703) is (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine is CN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1.CN(C)C[C@@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is VCDKRGRDIKTLSE-VMFAFTOVSA-N. The full InChI is InChI=1S/C15H20N2O2.C15H24N2/c1-16(2)15(19)13-10-6-7-11-17(13)14(18)12-8-4-3-5-9-12;1-16(2)13-15-10-6-7-11-17(15)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-11H2,1-2H3;3-5,8-9,15H,6-7,10-13H2,1-2H3/t13-;15-/m00/s1.
What are the key properties of (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine?
(2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 492.71 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-N,N-dimethylpiperidine-2-carboxamide;1-[(2S)-1-benzylpiperidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 161257703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).